2-Bromothiazole-5-carboxaldehyde - CAS 464192-28-7

Catalog:	BB026133
Product Name:	2-Bromothiazole-5-carboxaldehyde
CAS:	464192-28-7
Synonyms:	2-bromo-1,3-thiazole-5-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1,3-thiazole-5-carbaldehyde
Description:	2-Bromothiazole-5-carboxaldehyde (CAS# 464192-28-7) is a reactant in the preparation of thienopyridines as potent checkpoint 1 kinase (CHK1) inhibitors.
Molecular Weight:	192.03
Molecular Formula:	C4H2BrNOS
Canonical SMILES:	C1=C(SC(=N1)Br)C=O
InChI:	InChI=1S/C4H2BrNOS/c5-4-6-1-3(2-7)8-4/h1-2H
InChI Key:	DJUWIZUEHXRECB-UHFFFAOYSA-N
Boiling Point:	264.9 °C at 760 mmHg
Purity:	98 %
Density:	1.92 g/cm³
Appearance:	White to dark yellow powder or crystals
MDL:	MFCD03788567
LogP:	1.71810

Publication Number	Title	Priority Date
WO-2021168074-A1	Macrocyclic compounds and uses thereof	20200218
CN-112574239-A	3-thiazolenyl boron fluoride complex dipyrromethene compound and preparation method and application thereof	20190927
KR-20200066463-A	Benzamide derivatives as protein kinase inhibitors	20181130
KR-102205615-B1	Benzamide derivatives as protein kinase inhibitors	20181130
WO-2020103884-A1	Cyclic Ureas	20181120

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[1072145-33-5]
ERRα antagonist-1
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate

GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.90405
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.90405
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8